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TitleProbing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site.
Journal, issue, pagesJ. Chem. Inf. Model, Vol. 51, Page 2581-, Year 2011
Publish dateJan 12, 2011 (structure data deposition date)
AuthorsCappel, D. / Wahlstrom, R. / Brenk, R. / Sotriffer, C.A.
External linksJ. Chem. Inf. Model / PubMed:21916516
MethodsX-ray diffraction
Resolution1.25 Å
Structure data

PDB-2y5a:
Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-3AP:
3-AMINOPYRIDINE

ChemComp-HOH:
WATER

Source
  • saccharomyces cerevisiae (brewer's yeast)
KeywordsOXIDOREDUCTASE / DOCKING / MODEL BINDING SITE

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